{"title":"暴露于静电场的螺毒素构象变化:分子模型研究","authors":"Sohni Jain, V. Vojisavljevic, E. Pirogova","doi":"10.1109/WIECON-ECE.2016.8009075","DOIUrl":null,"url":null,"abstract":"A number of research studies have been conducted to understand the effects of external static and oscillating electromagnetic fields on molecules and cells. Recent computational and experimental studies showed that electromagnetic radiation (EMR) of different frequencies and powers could induce various modulating effects in biological systems. In this study, the effects of static electric fields of different strengths 0.01, 0.001 and 0.0001V/nm on the conformation of Conotoxin protein were investigated using molecular dynamics (MD) simulations. A novel Dynamic Time Warping (DTW) method was employed to evaluate the conformational changes in Conotoxin exposed to static electric fields of different strength. The results revealed that the electric field of 0.01V/nm induces the statistically significant changes in conformation of Conotoxin.","PeriodicalId":412645,"journal":{"name":"2016 IEEE International WIE Conference on Electrical and Computer Engineering (WIECON-ECE)","volume":"92 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2016-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":"{\"title\":\"Conformational changes in Conotoxin exposed to static electric fields: A molecular modeling study\",\"authors\":\"Sohni Jain, V. Vojisavljevic, E. Pirogova\",\"doi\":\"10.1109/WIECON-ECE.2016.8009075\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A number of research studies have been conducted to understand the effects of external static and oscillating electromagnetic fields on molecules and cells. Recent computational and experimental studies showed that electromagnetic radiation (EMR) of different frequencies and powers could induce various modulating effects in biological systems. In this study, the effects of static electric fields of different strengths 0.01, 0.001 and 0.0001V/nm on the conformation of Conotoxin protein were investigated using molecular dynamics (MD) simulations. A novel Dynamic Time Warping (DTW) method was employed to evaluate the conformational changes in Conotoxin exposed to static electric fields of different strength. The results revealed that the electric field of 0.01V/nm induces the statistically significant changes in conformation of Conotoxin.\",\"PeriodicalId\":412645,\"journal\":{\"name\":\"2016 IEEE International WIE Conference on Electrical and Computer Engineering (WIECON-ECE)\",\"volume\":\"92 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2016-12-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"2016 IEEE International WIE Conference on Electrical and Computer Engineering (WIECON-ECE)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1109/WIECON-ECE.2016.8009075\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"2016 IEEE International WIE Conference on Electrical and Computer Engineering (WIECON-ECE)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/WIECON-ECE.2016.8009075","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Conformational changes in Conotoxin exposed to static electric fields: A molecular modeling study
A number of research studies have been conducted to understand the effects of external static and oscillating electromagnetic fields on molecules and cells. Recent computational and experimental studies showed that electromagnetic radiation (EMR) of different frequencies and powers could induce various modulating effects in biological systems. In this study, the effects of static electric fields of different strengths 0.01, 0.001 and 0.0001V/nm on the conformation of Conotoxin protein were investigated using molecular dynamics (MD) simulations. A novel Dynamic Time Warping (DTW) method was employed to evaluate the conformational changes in Conotoxin exposed to static electric fields of different strength. The results revealed that the electric field of 0.01V/nm induces the statistically significant changes in conformation of Conotoxin.
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